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Chemical ID: 5830188
Chemical ID:
5830188
Name [?]:
(3-methyl-1-piperidyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]-methanone
SMILES [?]:
CC1CCCN(C1)C(=O)C2CCN(CC2)Cc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C20H27F3N2O/c1-15-3-2-10-25(13-15)19(26)17-8-11-24(12-9-17)14-16-4-6-18(7-5-16)20(21,22)23/h4-7,15,17H,2-3,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,18,22,19,21,11,15,5,12,14,7,16,2,17,10,20,8,23,24,25,26,13,6,9/E:(4,5)(6,7)(8,9)(11,12)(21,22,23)/rA:26cCCCCCNCCOCCCNCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27F3N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6279 |
Area: | 557.896 |
Solvation: | -3.31947 |
Coulombic: | -40.8466 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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